1-[4-(4-fluorophenyl)butyl]-4-pyridin-3-ylpiperazine

C19H24FN3 — CID 162653993

IUPAC1-[4-(4-fluorophenyl)butyl]-4-pyridin-3-ylpiperazine
SMILESFc1ccc(CCCCN2CCN(c3cccnc3)CC2)cc1
InChIInChI=1S/C19H24FN3/c20-18-8-6-17(7-9-18)4-1-2-11-22-12-14-23(15-13-22)19-5-3-10-21-16-19/h3,5-10,16H,1-2,4,11-15H2
InChIKeyURRGVMZADQFXDL-UHFFFAOYSA-N
MW313.42 g/mol
LogP3.37
Rot. Bonds6

About 1-[4-(4-fluorophenyl)butyl]-4-pyridin-3-ylpiperazine

1-[4-(4-fluorophenyl)butyl]-4-pyridin-3-ylpiperazine (PubChem CID 162653993) has the molecular formula C19H24FN3 and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)butyl]-4-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)butyl]-4-pyridin-3-ylpiperazine
PubChem CID162653993
Molecular FormulaC19H24FN3
Molecular Weight313.42 g/mol
Exact Mass313.20
IUPAC Name1-[4-(4-fluorophenyl)butyl]-4-pyridin-3-ylpiperazine
SMILESFc1ccc(CCCCN2CCN(c3cccnc3)CC2)cc1
InChIInChI=1S/C19H24FN3/c20-18-8-6-17(7-9-18)4-1-2-11-22-12-14-23(15-13-22)19-5-3-10-21-16-19/h3,5-10,16H,1-2,4,11-15H2
InChIKeyURRGVMZADQFXDL-UHFFFAOYSA-N
XLogP3.37
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-4-(3-pyridin-3-ylpropyl)-1,4-diazepane
CID 171906407
N-[[4-[4-(4-phenylpiperazin-1-yl)butyl]phenyl]methyl]pyridine-3-carboxamide
CID 139880359
4-[4-(4-fluorophenyl)butyl]piperazine-1-carbothioamide
CID 88622308
3-(3-pyrrolidin-1-ylpropyl)pyridine
CID 70096862
1-ethyl-4-pyridin-3-yl-1,4-diazepane
CID 22478498
1-benzyl-4-pyridin-3-yl-1,4-diazepane
CID 22053417
[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 70381756
3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]aniline
CID 63262779
(4-pyridin-3-ylpiperazin-1-yl)phosphane
CID 21025744
1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride
CID 86694323
1-(4-fluorophenyl)-4-[3-(1H-pyrazol-4-yl)propyl]piperazine;bis(2,2,2-trifluoroacetic acid)
CID 154887844
N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-N-(3-phenylpropyl)oxamide
CID 22517332

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)butyl]-4-pyridin-3-ylpiperazine?
The IUPAC name of 1-[4-(4-fluorophenyl)butyl]-4-pyridin-3-ylpiperazine (CID 162653993) is 1-[4-(4-fluorophenyl)butyl]-4-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-[4-(4-fluorophenyl)butyl]-4-pyridin-3-ylpiperazine?
The canonical SMILES for 1-[4-(4-fluorophenyl)butyl]-4-pyridin-3-ylpiperazine is Fc1ccc(CCCCN2CCN(c3cccnc3)CC2)cc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)butyl]-4-pyridin-3-ylpiperazine?
The InChIKey is URRGVMZADQFXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3/c20-18-8-6-17(7-9-18)4-1-2-11-22-12-14-23(15-13-22)19-5-3-10-21-16-19/h3,5-10,16H,1-2,4,11-15H2.
What are the key properties of 1-[4-(4-fluorophenyl)butyl]-4-pyridin-3-ylpiperazine?
1-[4-(4-fluorophenyl)butyl]-4-pyridin-3-ylpiperazine has a molecular weight of 313.42 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)butyl]-4-pyridin-3-ylpiperazine is sourced from PubChem (CID 162653993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).